REMARK  Name = BDB003904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.927   0.251   0.081  0.00  0.00    +0.117 A 
ATOM      2  S   LIG    1        0.268   1.357  -0.440  0.00  0.00    -0.045 S 
ATOM      3  C   LIG    1        1.473   0.505   0.428  0.00  0.00    +0.169 A 
ATOM      4  N   LIG    1        1.030  -0.565   1.058  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.331  -0.707   0.872  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   3   6
ATOM      6  N   LIG    1        2.828   0.875   0.435  0.00  0.00    -0.234 N 
ATOM      7  C   LIG    1        3.282   2.021  -0.205  0.00  0.00    +0.314 C 
ATOM      8  O   LIG    1        2.606   2.934  -0.673  0.00  0.00    -0.252 OA
ATOM      9  N   LIG    1        4.644   2.171  -0.317  0.00  0.00    -0.240 N 
ATOM     10  H   LIG    1        4.721   3.068  -0.791  0.00  0.00    +0.159 HD
ATOM     11  C   LIG    1        5.335   1.287  -1.100  0.00  0.00    +0.220 C 
ATOM     12  O   LIG    1        5.728   1.607  -2.219  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        5.734  -0.020  -0.454  0.00  0.00    +0.098 C 
ATOM     14  C   LIG    1        4.592  -0.817   0.153  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        3.778   0.008   1.141  0.00  0.00    +0.117 C 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -2.304   0.405  -0.318  0.00  0.00    +0.348 C 
ATOM     17  O   LIG    1       -2.754   1.290  -1.033  0.00  0.00    -0.244 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -3.043  -0.601   0.231  0.00  0.00    -0.455 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -4.778  -0.912  -1.492  0.00  0.00    +0.055 C 
ATOM     20  C   LIG    1       -4.472  -0.693  -0.006  0.00  0.00    +0.106 C 
ATOM     21  C   LIG    1       -5.211   0.525   0.559  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1       -4.915  -1.940   0.774  0.00  0.00    +0.055 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4